2-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one;hydrochloride

C13H24ClN3O — CID 120854461

IUPAC2-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one;hydrochloride
SMILESCl.O=C1CC2(CCN(CC3CCNCC3)C2)CN1
InChIInChI=1S/C13H23N3O.ClH/c17-12-7-13(9-15-12)3-6-16(10-13)8-11-1-4-14-5-2-11;/h11,14H,1-10H2,(H,15,17);1H
InChIKeyYGEWUSLHSCHEJD-UHFFFAOYSA-N
MW273.81 g/mol
LogP0.62
Rot. Bonds2

About 2-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one;hydrochloride

2-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one;hydrochloride (PubChem CID 120854461) has the molecular formula C13H24ClN3O and a molecular weight of 273.81 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one;hydrochloride.

Molecular Properties

Compound Name2-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one;hydrochloride
PubChem CID120854461
Molecular FormulaC13H24ClN3O
Molecular Weight273.81 g/mol
Exact Mass273.16
IUPAC Name2-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one;hydrochloride
SMILESCl.O=C1CC2(CCN(CC3CCNCC3)C2)CN1
InChIInChI=1S/C13H23N3O.ClH/c17-12-7-13(9-15-12)3-6-16(10-13)8-11-1-4-14-5-2-11;/h11,14H,1-10H2,(H,15,17);1H
InChIKeyYGEWUSLHSCHEJD-UHFFFAOYSA-N
XLogP0.62
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride
CID 119932073
8-(3-cyclopentylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50953125
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
1-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]ethanone
CID 134790197
2-methyl-8-(piperidin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 120849524
1-(piperidin-4-ylmethyl)piperidin-4-one
CID 115020783
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 162741768
7-piperazin-1-yl-2-(piperidin-4-ylmethyl)-2-azaspiro[3.5]nonane
CID 170022734
ethane;6-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.4]octane
CID 171641866
2,9-diazaspiro[4.6]undecan-3-one;hydrochloride
CID 118385513
3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine
CID 115030744

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one;hydrochloride?
The IUPAC name of 2-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one;hydrochloride (CID 120854461) is 2-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one;hydrochloride.
What is the SMILES notation for 2-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one;hydrochloride?
The canonical SMILES for 2-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one;hydrochloride is Cl.O=C1CC2(CCN(CC3CCNCC3)C2)CN1.
What is the InChIKey of 2-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one;hydrochloride?
The InChIKey is YGEWUSLHSCHEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O.ClH/c17-12-7-13(9-15-12)3-6-16(10-13)8-11-1-4-14-5-2-11;/h11,14H,1-10H2,(H,15,17);1H.
What are the key properties of 2-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one;hydrochloride?
2-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one;hydrochloride has a molecular weight of 273.81 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-8-one;hydrochloride is sourced from PubChem (CID 120854461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).